4,6-dimethyl-2,3-benzoxazin-1-one

C10H9NO2 — CID 23398138

IUPAC4,6-dimethyl-2,3-benzoxazin-1-one
SMILESCc1ccc2c(=O)onc(C)c2c1
InChIInChI=1S/C10H9NO2/c1-6-3-4-8-9(5-6)7(2)11-13-10(8)12/h3-5H,1-2H3
InChIKeyCSWMCUWOGVIIBP-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.80
Rot. Bonds

About 4,6-dimethyl-2,3-benzoxazin-1-one

4,6-dimethyl-2,3-benzoxazin-1-one (PubChem CID 23398138) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,6-dimethyl-2,3-benzoxazin-1-one.

Molecular Properties

Compound Name4,6-dimethyl-2,3-benzoxazin-1-one
PubChem CID23398138
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4,6-dimethyl-2,3-benzoxazin-1-one
SMILESCc1ccc2c(=O)onc(C)c2c1
InChIInChI=1S/C10H9NO2/c1-6-3-4-8-9(5-6)7(2)11-13-10(8)12/h3-5H,1-2H3
InChIKeyCSWMCUWOGVIIBP-UHFFFAOYSA-N
XLogP1.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2,3-benzoxazin-1-one;5-methyl-3H-2-benzofuran-1-one
CID 159755596
6-isocyano-4-methyl-2,3-benzoxazin-1-one
CID 11159734
3,5-dimethyl-1,2-benzoxazole
CID 4283186
2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide
CID 71027221
2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide
CID 25099242
1,7-dimethylisoquinoline
CID 59050335
4-[(Z)-N-hydroxy-C-(2-hydroxy-5-methylphenyl)carbonimidoyl]-2,3-benzoxazin-1-one
CID 136818576
2-(4-cyanophenyl)-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 25095652
1,6-dimethylisoquinoline;ethane
CID 156751069
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide
CID 18551162
4-chloro-7-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoquinolin-1-one
CID 134169665

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3-benzoxazin-1-one?
The IUPAC name of 4,6-dimethyl-2,3-benzoxazin-1-one (CID 23398138) is 4,6-dimethyl-2,3-benzoxazin-1-one.
What is the SMILES notation for 4,6-dimethyl-2,3-benzoxazin-1-one?
The canonical SMILES for 4,6-dimethyl-2,3-benzoxazin-1-one is Cc1ccc2c(=O)onc(C)c2c1.
What is the InChIKey of 4,6-dimethyl-2,3-benzoxazin-1-one?
The InChIKey is CSWMCUWOGVIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-3-4-8-9(5-6)7(2)11-13-10(8)12/h3-5H,1-2H3.
What are the key properties of 4,6-dimethyl-2,3-benzoxazin-1-one?
4,6-dimethyl-2,3-benzoxazin-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3-benzoxazin-1-one is sourced from PubChem (CID 23398138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).